N-benzyl-2-[[2-(4-chlorophenoxy)acetyl]-propan-2-ylamino]-N-(thiophen-2-ylmethyl)acetamide

C25H27ClN2O3S — CID 4239351

IUPACN-benzyl-2-[[2-(4-chlorophenoxy)acetyl]-propan-2-ylamino]-N-(thiophen-2-ylmethyl)acetamide
SMILESCC(C)N(CC(=O)N(Cc1ccccc1)Cc1cccs1)C(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C25H27ClN2O3S/c1-19(2)28(25(30)18-31-22-12-10-21(26)11-13-22)17-24(29)27(16-23-9-6-14-32-23)15-20-7-4-3-5-8-20/h3-14,19H,15-18H2,1-2H3
InChIKeyRMFSIUCPSOYYMF-UHFFFAOYSA-N
MW471.02 g/mol
LogP5.25
Rot. Bonds10

About N-benzyl-2-[[2-(4-chlorophenoxy)acetyl]-propan-2-ylamino]-N-(thiophen-2-ylmethyl)acetamide

N-benzyl-2-[[2-(4-chlorophenoxy)acetyl]-propan-2-ylamino]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 4239351) has the molecular formula C25H27ClN2O3S and a molecular weight of 471.02 g/mol. Its IUPAC name is N-benzyl-2-[[2-(4-chlorophenoxy)acetyl]-propan-2-ylamino]-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-benzyl-2-[[2-(4-chlorophenoxy)acetyl]-propan-2-ylamino]-N-(thiophen-2-ylmethyl)acetamide
PubChem CID4239351
Molecular FormulaC25H27ClN2O3S
Molecular Weight471.02 g/mol
Exact Mass470.14
IUPAC NameN-benzyl-2-[[2-(4-chlorophenoxy)acetyl]-propan-2-ylamino]-N-(thiophen-2-ylmethyl)acetamide
SMILESCC(C)N(CC(=O)N(Cc1ccccc1)Cc1cccs1)C(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C25H27ClN2O3S/c1-19(2)28(25(30)18-31-22-12-10-21(26)11-13-22)17-24(29)27(16-23-9-6-14-32-23)15-20-7-4-3-5-8-20/h3-14,19H,15-18H2,1-2H3
InChIKeyRMFSIUCPSOYYMF-UHFFFAOYSA-N
XLogP5.25
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.02
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-3-chloro-N-propan-2-ylbenzamide
CID 1059599
N-benzyl-2-[butan-2-yl-(2-methoxyacetyl)amino]-N-(thiophen-2-ylmethyl)acetamide
CID 42777567
2-[[2-(4-chlorophenoxy)acetyl]-propan-2-ylamino]-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide
CID 3911221
N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-butan-2-yl-2-chloropropanamide
CID 42777569
N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-propan-2-ylcyclohexanecarboxamide
CID 1059581
N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-[(2S)-butan-2-yl]-3-chlorobenzamide
CID 93114134
N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-4-nitro-N-propan-2-ylbenzamide
CID 1059578
N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-[(2S)-butan-2-yl]pentanamide
CID 7288793
[4-[[benzyl-[2-(4-chlorophenoxy)acetyl]amino]methyl]phenyl] methanesulfonate
CID 4527269
N-benzyl-2-[(4-methylsulfanylphenyl)carbamoyl-propan-2-ylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 4032299
N-benzyl-2-[[2-(4-chlorophenoxy)acetyl]-(2-methylpropyl)amino]-N-(furan-2-ylmethyl)acetamide
CID 4161219
N-benzyl-2-[butan-2-yl-(2,5-dichlorophenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 3542326

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[[2-(4-chlorophenoxy)acetyl]-propan-2-ylamino]-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of N-benzyl-2-[[2-(4-chlorophenoxy)acetyl]-propan-2-ylamino]-N-(thiophen-2-ylmethyl)acetamide (CID 4239351) is N-benzyl-2-[[2-(4-chlorophenoxy)acetyl]-propan-2-ylamino]-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for N-benzyl-2-[[2-(4-chlorophenoxy)acetyl]-propan-2-ylamino]-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for N-benzyl-2-[[2-(4-chlorophenoxy)acetyl]-propan-2-ylamino]-N-(thiophen-2-ylmethyl)acetamide is CC(C)N(CC(=O)N(Cc1ccccc1)Cc1cccs1)C(=O)COc1ccc(Cl)cc1.
What is the InChIKey of N-benzyl-2-[[2-(4-chlorophenoxy)acetyl]-propan-2-ylamino]-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is RMFSIUCPSOYYMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27ClN2O3S/c1-19(2)28(25(30)18-31-22-12-10-21(26)11-13-22)17-24(29)27(16-23-9-6-14-32-23)15-20-7-4-3-5-8-20/h3-14,19H,15-18H2,1-2H3.
What are the key properties of N-benzyl-2-[[2-(4-chlorophenoxy)acetyl]-propan-2-ylamino]-N-(thiophen-2-ylmethyl)acetamide?
N-benzyl-2-[[2-(4-chlorophenoxy)acetyl]-propan-2-ylamino]-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 471.02 g/mol, XLogP of 5.25, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[[2-(4-chlorophenoxy)acetyl]-propan-2-ylamino]-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 4239351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).